PUBCHEM-ZINC02886751 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 46 0 0 0 0 0 0 0 0999 V2000 -0.1470 1.7110 0.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0840 0.2060 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0390 -0.5170 1.1880 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0190 -1.8970 1.1500 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0310 -2.5560 -0.0650 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0150 -1.8340 -1.2430 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0770 -0.4530 -1.2060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1060 -4.3160 -0.1130 S 0 0 0 0 0 0 0 0 0 0 0 0 0.6500 -4.6600 -1.3800 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6850 -4.7260 1.1180 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4530 -4.8730 -0.1060 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1610 -5.0860 -1.3710 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1250 -5.1530 1.1650 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9330 -3.9520 1.5820 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9470 -2.9590 0.8850 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6410 -3.9800 2.7280 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2950 -2.8270 3.1760 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8410 -1.5740 2.7850 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4890 -0.4370 3.2290 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5880 -0.5460 4.0610 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0420 -1.7920 4.4510 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4030 -2.9330 4.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9020 -4.2910 4.4280 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2190 -1.9040 5.3420 N 0 3 0 0 0 0 0 0 0 0 0 0 -8.1390 -1.1130 5.2380 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.2680 -2.7880 6.1790 O 0 5 0 0 0 0 0 0 0 0 0 0 0.8640 2.1170 0.0480 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6880 2.0760 -0.8230 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6640 2.0280 0.9560 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0490 -0.0020 2.1370 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0540 -2.4610 2.0700 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0040 -2.3480 -2.1930 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1160 0.1110 -2.1260 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9900 -6.1060 -1.7150 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2280 -4.9260 -1.2210 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7900 -4.3840 -2.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7860 -6.0120 1.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3790 -5.3720 1.9300 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6970 -4.8000 3.2440 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9820 -1.4880 2.1360 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1360 0.5370 2.9260 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0930 0.3440 4.4060 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3480 -4.6270 5.3040 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9630 -4.2280 4.6710 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7580 -5.0000 3.6120 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 30 1 0 0 0 0 4 5 1 0 0 0 0 4 31 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 32 1 0 0 0 0 7 33 1 0 0 0 0 8 9 2 0 0 0 0 8 10 2 0 0 0 0 8 11 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 12 36 1 0 0 0 0 13 14 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 39 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 40 1 0 0 0 0 19 20 1 0 0 0 0 19 41 1 0 0 0 0 20 21 2 0 0 0 0 20 42 1 0 0 0 0 21 22 1 0 0 0 0 21 24 1 0 0 0 0 22 23 1 0 0 0 0 23 43 1 0 0 0 0 23 44 1 0 0 0 0 23 45 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 M CHG 1 24 1 M CHG 1 26 -1 M END